SCHEMBL3110739

SCHEMBL3110739

O=C(O)c1cc2cc(F)ccc2n1CCOc1ncccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCR2 P41597 3/20 0.43
MCL1 Q07820 2/20 0.40
ABCB11 O95342 1/20 0.40
IDO1 P14902 1/20 0.39
P2RY1 P47900 1/20 0.39
SSTR4 P31391 6/20 0.38
SSTR1 P30872 4/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL829866 0.88 KDM4E (0.41) NTRK1KDM4EALDH1A1HPGDIDO1
SCHEMBL832123 0.77 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3110734 0.77 NTRK1 (0.48) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21647634 0.74 ALDH1A1 (0.61) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3114834 0.73 ALDH1A1 (0.50) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3114034 0.73 CCR2 (0.53) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600229 0.71 CCR2 (0.56) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4599686 0.70 IDO1 (0.61) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15362104 0.70 CCR2 (0.53) NTRK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600138 0.70 CCR2 (0.53) NTRK1KDM4EALDH1A1HPGDHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP disclosed
EP-1987010-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007088277-A1 TRICYCLIC Ν-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-09 WO disclosed